SCHEMBL9728729

SCHEMBL9728729

Cc1nn2c(-c3ccncc3)ccnc2c1C(=O)N=CN(C)C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 12/20 0.53
PIM1 P11309 12/20 0.53
GAA P10253 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 1/20 0.52
ACVR1 Q04771 3/20 0.51
CHEK1 O14757 3/20 0.48
CDK2 P24941 3/20 0.48
CSNK2A1 P68400 3/20 0.48
HTT P42858 2/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL9877170 0.92 NTRK1 (0.64) NTRK1PIM1GAAL3MBTL1LMNA
SCHEMBL9877172 0.92 NTRK1 (0.64) NTRK1PIM1GAAL3MBTL1LMNA
SCHEMBL9878320 0.82 KDM4E (0.48) NTRK1PIM1ACVR1CHEK1CDK2
SCHEMBL9728647 0.82 KDM4E (0.48) NTRK1PIM1ACVR1CHEK1CDK2
SCHEMBL9877259 0.79 NTRK1 (0.43) NTRK1PIM1GAAACVR1CHEK1
SCHEMBL9877954 0.76 MAPT (0.53) NTRK1PIM1GAAL3MBTL1CHEK1
SCHEMBL9728968 0.70 CLK4 (0.61) NTRK1PIM1GAAHTTKDM4E
SCHEMBL9728973 0.70 CLK4 (0.61) NTRK1PIM1GAAHTTKDM4E
SCHEMBL29283640 0.68 NTRK1 (0.65) NTRK1PIM1GAAACVR1CHEK1
SCHEMBL9877202 0.67 TLR8 (0.67) PIM1KDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5169850-A Neurotropic or hypotensive agents AMERICAN CYANAMID COMPANY (US) 1992-12-08 US claimed
US-5169850-A Neurotropic or hypotensive agents AMERICAN CYANAMID COMPANY (US) 1992-12-08 US disclosed
US-5059691-A Anxiolytic agents; hypotensive agents; nervous system disorders; cognition activators AMERICAN CYANAMID COMPANY (US) 1991-10-22 US disclosed