SCHEMBL29094575

SCHEMBL29094575

O=C(O)N1CC=C(c2cc(F)c(Nc3ccc(OCc4ccccc4)nc3OCc3ccccc3)cc2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 7/20 0.38
▸ CCNT1 O60563 5/20 0.38
▸ BTK Q06187 3/20 0.37
▸ MAPT P10636 1/20 0.36
▸ PRMT5 O14744 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ EED O75530 1/20 0.35
▸ RBBP4 Q09028 1/20 0.35
▸ SUZ12 Q15022 1/20 0.35
▸ EZH2 Q15910 1/20 0.35
▸ TRPV1 Q8NER1 2/20 0.34

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
SCHEMBL30702789 0.90 TNF (0.43) CDK9CCNT1GRM5EEDRBBP4
SCHEMBL30702786 0.90 TNF (0.43) CDK9CCNT1GRM5EEDRBBP4
SCHEMBL29197644 0.88 CDK9 (0.39) CDK9CCNT1BTKMAPTPRMT5
SCHEMBL29094612 0.83 PRMT5 (0.40) CDK9CCNT1BTKMAPTPRMT5
SCHEMBL23538333 0.80 PDE10A (0.44) CDK9CCNT1GRM5EEDRBBP4
SCHEMBL29744746 0.80 PDE10A (0.44) CDK9CCNT1GRM5EEDRBBP4
SCHEMBL29279169 0.80 PRMT5 (0.39) CDK9CCNT1BTKPRMT5GRM5
SCHEMBL29744828 0.80 NAMPT (0.44) CDK9CCNT1GRM5
SCHEMBL23538491 0.80 NAMPT (0.44) CDK9CCNT1GRM5
SCHEMBL24880538 0.78 PDK4 (0.46) CDK9CCNT1BTKGRM5EED

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
CN-116891502-A EGFR degrading agent 上海齐鲁制药研究中心有限公司 2023-10-17 — — CN disclosed
Send feedback