SCHEMBL9314360

SCHEMBL9314360

Cc1cc(C)cc(-c2c3c4c(ccc5c6ccc7c8c(ccc(c(c2-c2cc(C)cc(C)c2)c45)c86)C(=O)NC7=O)C(=O)NC3=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 7/20 0.39
▸ CHEK1 O14757 6/20 0.39
▸ CDK4 P11802 4/20 0.39
▸ CCND1 P24385 4/20 0.39
▸ CAMK2B Q13554 1/20 0.39
▸ CAMK2G Q13555 1/20 0.39
▸ CAMK2D Q13557 1/20 0.39
▸ CAMK2A Q9UQM7 1/20 0.39
▸ PARP1 P09874 5/20 0.36
▸ GLI1 P08151 1/20 0.34
▸ GLI2 P10070 1/20 0.34
▸ EGFR P00533 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ CCNE2 O96020 2/20 0.33
▸ CCNE1 P24864 2/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ PRKACA P17612 1/20 0.32
▸ PRKACG P22612 1/20 0.32
▸ PRKACB P22694 1/20 0.32

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
SCHEMBL3947648 0.82 WEE1 (0.43) WEE1CHEK1CDK4CCND1CAMK2B
SCHEMBL7902735 0.81 GSK3B (0.35) WEE1CHEK1CDK4CCND1CAMK2B
SCHEMBL3946790 0.77 PARP1 (0.37) WEE1CHEK1CDK4CCND1CAMK2B
SCHEMBL7598198 0.75 PARP1 (0.41) WEE1CHEK1CDK4CCND1CAMK2B
SCHEMBL7598089 0.72 PARP1 (0.50) WEE1CHEK1PARP1MAOAMAOB
SCHEMBL29541 0.72 PARP1 (0.50) WEE1CHEK1PARP1MAOAMAOB
SCHEMBL30606639 0.72 PARP1 (0.50) WEE1CHEK1PARP1MAOAMAOB
SCHEMBL7601076 0.72 PARP1 (0.50) WEE1CHEK1PARP1MAOAMAOB
SCHEMBL16855803 0.71 PARP1 (0.49) CHEK1CDK4CCND1CAMK2BCAMK2G
SCHEMBL2854316 0.71 PARP1 (0.36) WEE1CHEK1CDK4CCND1CAMK2B

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-0591375-A1 COMPOSITE ARTICLE COMPRISING ORIENTED MICROSTRUCTURES. MINNESOTA MINING & MFG (US) 1994-04-13 — — EP disclosed
WO-1993000560-A1 COMPOSITE ARTICLE COMPRISING ORIENTED MICROSTRUCTURES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-01-07 — — WO disclosed
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