SCHEMBL7901581

SCHEMBL7901581

Nc1n[nH]cc1-c1ccc(Sc2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
TNK2 Q07912 2/20 0.37
KDR P35968 2/20 0.37
MAP4K4 O95819 1/20 0.37
CSF1R P07333 1/20 0.37
FGFR1 P11362 1/20 0.37
PDGFRA P16234 1/20 0.37
LTK P29376 1/20 0.37
MAPK8 P45983 1/20 0.37
CSNK1A1 P48729 1/20 0.37
LIMK1 P53667 1/20 0.37
CDK5 Q00535 1/20 0.37
ACVR1 Q04771 1/20 0.37
AURKB Q96GD4 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL544598 0.83 MAP4K4 (0.48) TNK2KDRMAP4K4CSF1RFGFR1
SCHEMBL7892605 0.79 BRD4 (0.35) TNK2KDRDYRK1BDHFRALDH1A1
SCHEMBL9173107 0.78 DHFR (0.42) TNK2KDRMAP4K4CSF1RFGFR1
SCHEMBL7901568 0.77 TNK2 (0.46) TNK2MAP4K4MAPK1DHFRALDH1A1
SCHEMBL8993116 0.76 LTA4H (0.45) TNK2KDRMAP4K4CSF1RFGFR1
SCHEMBL3724188 0.75 KDR (0.46) KDRLTKLIMK1AURKBDYRK1B
SCHEMBL1925085 0.74 IMPDH2 (0.43) CDK5AURKBCLK4DYRK1BCYP3A4
SCHEMBL8993172 0.73 ALDH1A1 (0.42) TNK2KDRMAP4K4CSF1RFGFR1
SCHEMBL9735461 0.72 IKBKB (0.46) MAP4K4ALDH1A1HPGD
SCHEMBL17619924 0.72 MAPK14 (0.49) TNK2KDRMAP4K4CSF1RFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6197774-B1 THERAPY FOR ASTHMA, SKIN DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-03-06 US disclosed
EP-1019501-A1 NOVEL PYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP disclosed
US-5843951-A Analgesic composition of pyrazolo(1,5-A) pyrimidines OTSUKA PHARMACEUTICAL FACTORY INC. (JP) 1998-12-01 US disclosed
WO-1998041526-A1 NOVEL PYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-09-24 WO disclosed
EP-0795555-A1 ANALGESICS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1997-09-17 EP disclosed
US-5420128-A Pyrimidine derivatives, method of manufacturing the same, and androgen inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-30 US disclosed
EP-0503099-A1 PYRIMIDINE DERIVATIVE, PRODUCTION THEREOF, AND ANDROGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-09-16 EP disclosed