SCHEMBL14561895

SCHEMBL14561895

CC(C)(C)OC(=O)N1CCC(c2cc(Nc3cc(C4CCCN(C(=O)OC(C)(C)C)C4)nc4c(Br)cnn34)sn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ TRPV3 Q8NET8 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ CHEK1 O14757 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CCNA1 P78396 1/20 0.37
▸ GSK3B P49841 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ GPR35 Q9HC97 2/20 0.36
▸ GPR55 Q9Y2T6 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ FPR2 P25090 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36
▸ MAPT P10636 1/20 0.35

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
SCHEMBL11931591 0.92 CHEK1 (0.46) ALDH1A1KDM4EMEN1KMT2ACRHBP
SCHEMBL11931622 0.82 CHEK1 (0.46) ALDH1A1KDM4EMEN1KMT2ACRHBP
SCHEMBL14561898 0.81 ALDH1A1 (0.37) ALDH1A1KDM4EMEN1KMT2ACRHBP
SCHEMBL14541613 0.80 TRPV3 (0.43) ALDH1A1KDM4EMEN1KMT2ACRHBP
SCHEMBL11931578 0.80 CHEK1 (0.47) ALDH1A1KDM4ETRPV3HPGDCHEK1
SCHEMBL14942244 0.79 CHEK1 (0.53) ALDH1A1KDM4EMEN1KMT2ACRHBP
SCHEMBL11931323 0.79 TRPV3 (0.43) ALDH1A1KDM4EMEN1KMT2ACRHBP
SCHEMBL13309217 0.79 JAK2 (0.41) TRPV3CHEK1CDK2GSK3BFPR2
SCHEMBL14218635 0.79 CHEK1 (0.51) TRPV3CHEK1CCNA2CDK2CCNA1
SCHEMBL11931577 0.79 CHEK1 (0.65) CHEK1CCNA2CDK2CCNA1

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
US-7196092-B2 N-heteroaryl pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-03-27 — — US disclosed
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