SCHEMBL8466339

SCHEMBL8466339

COc1ccc2c(N3C(=O)C=C(c4cn(C)c5ccccc45)C3=O)cn(CCC#N)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.44
CDK9 P50750 2/20 0.44
MEN1 O00255 5/20 0.42
USP2 O75604 5/20 0.42
CYP1A2 P05177 5/20 0.42
CYP3A4 P08684 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPK1 P28482 3/20 0.42
CASP1 P29466 3/20 0.42
CASP7 P55210 3/20 0.42
HIF1A Q16665 3/20 0.42
CYP2C9 P11712 2/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HBB P68871 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
PRKCA P17252 3/20 0.41
GSK3B P49841 3/20 0.41
MYLK Q15746 2/20 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
SCHEMBL8477172 0.86 MYLK (0.35) CCNT1CDK9MEN1USP2CYP1A2
SCHEMBL8477960 0.84 CCNT1 (0.42) CCNT1CDK9MEN1USP2CYP1A2
SCHEMBL8126914 0.79 PRKCA (0.64) CCNT1CDK9PRKCAGSK3BKDR
SCHEMBL8619764 0.75 CAMK2D (0.57) CCNT1CDK9PRKCAPTPRCCCNA2
SCHEMBL8467099 0.74 HTR2C (0.38) MEN1USP2CYP1A2CYP3A4KMT2A
SCHEMBL8477363 0.73 MYLK (0.38) CCNT1CDK9MEN1USP2CYP1A2
SCHEMBL8113347 0.73 PRKCA (0.63) CCNT1CDK9PRKCAGSK3BCCNA2
SCHEMBL8122774 0.73 PRKCA (0.63) CCNT1CDK9PRKCAGSK3BCCNA2
SCHEMBL25282614 0.71 CAMK2D (0.57) CCNT1CDK9CCNA2CDK2
SCHEMBL8923158 0.71 GSK3B (0.47) CCNT1CDK9PRKCAGSK3BKDR

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
US-5945440-A Indolocarbazole imides and the use thereof GOEDECKE AKTIENGESELLSCHAFT (DE) 1999-08-31 US disclosed
US-5883114-A TREATING CANCEROUS TUMORS, INFLAMMATORY DISEASES, AND ALLERGIES GOEDECKE AKTIENGESELLSCHAFT (DE) 1999-03-16 US disclosed