SCHEMBL9832075

SCHEMBL9832075

COc1ccccc1-c1cc2[nH]c3ccccc3c2c2c1C(=O)NC2=O

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 15/20 0.77
CHEK1 O14757 14/20 0.77
PARP1 P09874 2/20 0.60
KDR P35968 1/20 0.55
ROCK2 O75116 2/20 0.53
CCNE2 O96020 1/20 0.53
CDK4 P11802 1/20 0.53
CCND1 P24385 1/20 0.53
CCNE1 P24864 1/20 0.53
CDK2 P24941 1/20 0.53
CAMK2B Q13554 1/20 0.53
CAMK2G Q13555 1/20 0.53
CAMK2D Q13557 1/20 0.53
CAMK2A Q9UQM7 1/20 0.53

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
SCHEMBL5829286 0.87 WEE1 (1.00) WEE1CHEK1KDRCDK4CDK2
SCHEMBL9832776 0.82 WEE1 (0.75) WEE1CHEK1PARP1KDRCCNE2
SCHEMBL9834200 0.81 MAP3K9 (0.58) WEE1CHEK1PARP1KDRROCK2
SCHEMBL10405623 0.81 WEE1 (0.76) WEE1CHEK1PARP1KDRCDK2
SCHEMBL5828676 0.79 WEE1 (0.84) WEE1CHEK1KDRCDK2CAMK2D
SCHEMBL9832547 0.79 WEE1 (0.74) WEE1CHEK1PARP1CCNE2CDK4
SCHEMBL9832534 0.77 WEE1 (0.78) WEE1CHEK1PARP1KDRCCNE2
SCHEMBL5828702 0.76 WEE1 (1.00) WEE1CHEK1CDK4
SCHEMBL5829093 0.76 WEE1 (0.78) WEE1CHEK1KDRROCK2CDK2
SCHEMBL5828673 0.76 PARP1 (1.00) WEE1CHEK1PARP1ROCK2CCNE2

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-0362695-B1 PYRROLOCARBAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS GÖDECKE AKTIENGESELLSCHAFT (DE) 1991-04-03 EP disclosed
US-4912107-A Pyrrolocarbazole derivatives, compositions containing them, and methods for using them GOEDECKE AKTIENGESELLSCHAFT (DE) 1990-03-27 US disclosed