SCHEMBL6947210

SCHEMBL6947210

CC1CC(=O)c2c(C(=O)Nc3ccncc3)coc2C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NTRK3 Q16288 1/20 0.47
NTRK2 Q16620 1/20 0.47
NAMPT P43490 1/20 0.46
TYK2 P29597 4/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
JAK2 O60674 4/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.38
BUB1 O43683 1/20 0.38
JAK1 P23458 2/20 0.38
PRKCI P41743 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6948327 0.86 HSD17B10 (0.54) NAMPTLMNASMN1; SMN2HTTKDM4E
SCHEMBL6950216 0.81 BCHE (0.38) LMNASMN1; SMN2BUB1
SCHEMBL6777504 0.77 TYK2 (0.43) TYK2LMNASMN1; SMN2ROCK2ROCK1
SCHEMBL6947652 0.75 HTR2A (0.34) NTRK3NTRK2HTTKDM4E
SCHEMBL6950893 0.67 GAA (0.47) KDM4E
SCHEMBL10013879 0.65 ALDH1A1 (0.47) HTTKDM4EMAPK1KMT2A
SCHEMBL351647 0.65 ALDH1A1 (0.47) HTTKDM4EMAPK1KMT2A
SCHEMBL6770247 0.64 ALDH1A1 (0.46) NAMPTLMNASMN1; SMN2HTTKDM4E
SCHEMBL6773309 0.64 AHR (0.48) LMNAROCK2ROCK1HTTKDM4E
SCHEMBL6771713 0.63 LMNA (0.40) LMNASMN1; SMN2ROCK2ROCK1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1030838-B1 METHOD OF SYNTHESIS OF PYRROLE AMIDES PFIZER PROD INC (US) 2003-01-22 EP claimed
US-6262272-B1 REACTING FURAN CARBOXYLIC ACID DERIVATIVE WITH ACID CHLORIDE OR ACID ANHYDRIDE IN INERT SOLVENT CONTAINING ACID RECEPTOR; ADDING AROMATIC AMINE COMPOUND TO FORM PYRROLE CARBOXAMIDE COMPOUND PFIZER INC 2001-07-17 US claimed
EP-1030838-A1 METHOD OF SYNTHESIS OF PYRROLE AMIDES Pfizer Products Inc. (US) 2000-08-30 EP claimed
WO-1999025684-A1 METHOD OF SYNTHESIS OF PYRROLE AMIDES PFIZER PRODUCTS INC. (US) 1999-05-27 WO claimed
EP-1030838-B1 METHOD OF SYNTHESIS OF PYRROLE AMIDES PFIZER PROD INC (US) 2003-01-22 EP disclosed
US-6262272-B1 REACTING FURAN CARBOXYLIC ACID DERIVATIVE WITH ACID CHLORIDE OR ACID ANHYDRIDE IN INERT SOLVENT CONTAINING ACID RECEPTOR; ADDING AROMATIC AMINE COMPOUND TO FORM PYRROLE CARBOXAMIDE COMPOUND PFIZER INC 2001-07-17 US disclosed
EP-1030838-A1 METHOD OF SYNTHESIS OF PYRROLE AMIDES Pfizer Products Inc. (US) 2000-08-30 EP disclosed
WO-1999025684-A1 METHOD OF SYNTHESIS OF PYRROLE AMIDES PFIZER PRODUCTS INC. (US) 1999-05-27 WO disclosed