SCHEMBL8030145

SCHEMBL8030145

Cn1c(Cc2ccc(C#N)cc2)nc2cc(N(C(=O)Cc3nnn[nH]3)C3CCCC3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACSL1 P33121 2/20 0.41
ITK Q08881 12/20 0.41
MAP4K4 O95819 2/20 0.41
CHEK2 O96017 2/20 0.41
PRKCG P05129 2/20 0.41
PHKG2 P15735 2/20 0.41
MARK3 P27448 2/20 0.41
CSNK1A1 P48729 2/20 0.41
CSNK1D P48730 2/20 0.41
CLK2 P49760 2/20 0.41
IRAK1 P51617 2/20 0.41
RPS6KA3 P51812 2/20 0.41
NEK4 P51957 2/20 0.41
CSNK1G2 P78368 2/20 0.41
MAP4K2 Q12851 2/20 0.41
PRKAA1 Q13131 2/20 0.41
CAMK2G Q13555 2/20 0.41
DYRK1A Q13627 2/20 0.41
PKN2 Q16513 2/20 0.41
TAOK1 Q7L7X3 2/20 0.41

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
SCHEMBL8026014 0.81 ACSL1 (0.45) ACSL1ITKMAP4K4CHEK2PRKCG
SCHEMBL8029597 0.79 ACSL1 (0.43) ACSL1ITKMAP4K4CHEK2PRKCG
Hydrochloric Acid SCHEMBL7427959 0.78 F2 (0.56) F2
SCHEMBL8029894 0.77 ITK (0.43) ACSL1ITKMAP4K4CHEK2PRKCG
SCHEMBL8027050 0.76 ITK (0.45) ACSL1ITKMAP4K4CHEK2PRKCG
SCHEMBL8026495 0.73 ACSL1 (0.42) ACSL1ITKMAP4K4CHEK2PRKCG
SCHEMBL8030134 0.73 KMT2A (0.44) ACSL1
SCHEMBL8030138 0.73 ITK (0.41) ACSL1ITKMAP4K4CHEK2PRKCG
SCHEMBL8017278 0.72 ITK (0.51) ACSL1ITKMAP4K4CHEK2PRKCG
SCHEMBL8016122 0.71 F2 (0.57) F2

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
EP-1060166-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS Boehringer Ingelheim Pharma KG (DE) 2000-12-20 EP disclosed
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed
WO-1999040072-A1 FIVE-MEMBERED, BENZO-CONDENSED HETEROCYCLES USED AS ANTITHROMBOTIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-08-12 WO disclosed