SCHEMBL26870923

SCHEMBL26870923

Clc1cc(C(C2CC2)C2CC2)nc2c(C3CC3)cnn12

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 2/20 0.31
▸ CDK1 P06493 2/20 0.31
▸ CDK4 P11802 2/20 0.31
▸ CCNA2 P20248 2/20 0.31
▸ CCND1 P24385 2/20 0.31
▸ CCNE1 P24864 2/20 0.31
▸ CDK2 P24941 2/20 0.31
▸ CDK7 P50613 2/20 0.31
▸ CDK9 P50750 2/20 0.31
▸ CCNH P51946 2/20 0.31
▸ CCNA1 P78396 2/20 0.31
▸ CDK3 Q00526 2/20 0.31
▸ CDK6 Q00534 2/20 0.31
▸ CDK5 Q00535 2/20 0.31
▸ CDK5R1 Q15078 2/20 0.31
▸ CCNC P24863 1/20 0.30
▸ CDK8 P49336 1/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ MAPT P10636 2/20 0.30
▸ PLAT P00750 1/20 0.30

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
SCHEMBL26868391 0.83 CHEK1 (0.35) CCNA2CDK2CCNA1ALDH1A1MAPT
SCHEMBL26870888 0.82 KDM4E (0.36) CCNT1CDK1CDK4CCNA2CCND1
SCHEMBL12953633 0.79 PDE10A (0.39) CDK2ALDH1A1MAPTPLATSMN1; SMN2
SCHEMBL26871061 0.78 PIK3CB (0.33) CCNT1CDK1CDK4CCNA2CCND1
SCHEMBL26870935 0.78 CDK2 (0.39) CCNT1CDK1CDK4CCNA2CCND1
SCHEMBL26870862 0.78 CDK2 (0.44) CCNA2CDK2CCNA1ALDH1A1KDM4E
SCHEMBL26871688 0.78 CSNK2B (0.46) CCNT1CDK1CDK4CCNA2CCND1
SCHEMBL26871701 0.74 CDK9 (0.58) CCNT1CDK1CDK4CCNA2CCND1
SCHEMBL13901372 0.74 PDE10A (0.37) CCNA2CCNE1CDK2CCNA1ALDH1A1
SCHEMBL14395160 0.71 TDO2 (0.38) CCNA2CDK2CCNA1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4282868-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE-7-AMINE DERIVATIVE, AND COMPOSITIONS AND MEDICAL USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd (CN) 2023-11-29 — — EP disclosed
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