SCHEMBL26874938

SCHEMBL26874938

Cc1cc2nc(C(C3CC3)C3CC3)cc(N)n2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.50
▸ ALDH1A1 P00352 6/20 0.38
▸ HPGD P15428 5/20 0.38
▸ NPC1 O15118 5/20 0.38
▸ RAB9A P51151 5/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ MAPT P10636 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 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
SCHEMBL26870881 0.82 KDM4E (0.37) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL26871557 0.76 CCNT1 (0.47) KDM4EALDH1A1NPC1RAB9AMEN1
SCHEMBL26867726 0.75 CCNA2 (0.48) CDK5CDK5R1CYP1A2
SCHEMBL26871561 0.74 CDK9 (0.54) CDK5CDK5R1CYP1A2
SCHEMBL17470351 0.73 KDM4E (0.50) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL10388599 0.73 KDM4E (0.66) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL20534145 0.69 KDM4E (0.60) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL26869093 0.67 CHEK1 (0.52) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL26867729 0.67 CDK2 (0.44) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL26869091 0.67 KDM4E (0.35) KDM4EALDH1A1HPGDNPC1RAB9A

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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