SCHEMBL5263629

SCHEMBL5263629

CCc1cc2cncnc2s1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SELE P16581 8/20 0.49
VCAM1 P19320 8/20 0.49
KDM4E B2RXH2 4/20 0.41
TSHR P16473 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HRH4 Q9H3N8 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ICAM1 P05362 7/20 0.39
HTT P42858 3/20 0.39
TMIGD3 P0DMS9 1/20 0.39
ADORA1 P30542 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 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
SCHEMBL5268197 0.86 MEN1 (0.38) SELEVCAM1KDM4ETSHRCYP1A2
SCHEMBL20939332 0.81 CYP2A6 (0.33) SELEVCAM1MEN1
SCHEMBL29512111 0.77 MEN1 (0.41) MEN1KMT2A
SCHEMBL29808187 0.75 MAPK1 (0.35) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL6674194 0.75 MAPK1 (0.35) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL18342663 0.71 EGFR (0.33)
SCHEMBL656316 0.71 EGFR (0.36)
SCHEMBL7021081 0.70 CYP2A6 (0.68) SELEVCAM1CYP1A2CYP2C9ALDH1A1
SCHEMBL5265133 0.70 MEN1 (0.35) MEN1
SCHEMBL15935249 0.70 MRGPRX1 (0.38) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844052-A1 THIENO[2,3-D]PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION Pharmacia & Upjohn Company LLC (US) 2007-10-17 EP disclosed
WO-2006079916-A1 THIENO [2,3-D] PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION PHARMACIA & UPJOHN COMPANY LLC (US) 2006-08-03 WO disclosed