SCHEMBL13304818

SCHEMBL13304818

Bc1cnn2c(NCc3ccc(NOC)cc3)cc(-c3ccccc3Cl)nc12

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 9/20 0.58
▸ GSK3B P49841 8/20 0.53
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ GPR39 O43194 1/20 0.39
▸ KCNN1 Q92952 1/20 0.39
▸ KCNN2 Q9H2S1 1/20 0.39
▸ KCNN3 Q9UGI6 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CCNA1 P78396 1/20 0.39

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
SCHEMBL13288866 0.86 CDK2 (0.59) CDK2GSK3BMEN1KMT2ANPC1
SCHEMBL13305196 0.85 CDK2 (0.63) CDK2GSK3BMEN1KMT2ANPC1
SCHEMBL13289698 0.85 CDK2 (0.56) CDK2GSK3BMEN1KMT2A
SCHEMBL13288648 0.83 CDK2 (0.51) CDK2GSK3BMEN1KMT2ARAB9A
SCHEMBL13288969 0.82 CDK2 (0.54) CDK2GSK3BMEN1KMT2ANPC1
SCHEMBL13305688 0.82 GSK3B (0.56) CDK2GSK3BMEN1KMT2ANPC1
SCHEMBL13289612 0.82 CDK2 (0.60) CDK2GSK3BMEN1KMT2ANPC1
SCHEMBL13288668 0.81 CDK2 (0.55) CDK2GSK3BMEN1KMT2ARAB9A
SCHEMBL13288769 0.81 CDK2 (0.55) CDK2GSK3BMEN1KMT2ANPC1
SCHEMBL13289534 0.81 RET (0.48) CDK2GSK3BNPC1RAB9A

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-1537116-B1 PYRAZOLOPYRIMIDINES SUITABLE FOR THE TREATMENT OF CANCER DISEASES SCHERING CORP (US) 2010-06-02 — — EP disclosed
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