SCHEMBL19291968

SCHEMBL19291968

CCc1ccc(-c2ccc(CN3CCN(C)CC3)cc2)cn1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 9/20 0.59
▸ LMNA P02545 1/20 0.50
▸ TNIK Q9UKE5 4/20 0.49
▸ MC4R P32245 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ MAP3K11 Q16584 2/20 0.47
▸ IKBKB O14920 1/20 0.46
▸ CHUK O15111 1/20 0.46
▸ ABL1 P00519 1/20 0.46
▸ INSR P06213 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ FLT3 P36888 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ NCF1 P14598 1/20 0.46
▸ PRMT6 Q96LA8 1/20 0.46

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
SCHEMBL10289221 0.88 LMNA (0.51) CHKALMNAMC4RKDM4ENPC1
SCHEMBL19291552 0.87 HRH3 (0.62) —
SCHEMBL17409816 0.79 HRH3 (0.59) CHKALMNAMC4RKDM4ENPC1
SCHEMBL21565654 0.78 CHKA (0.60) CHKALMNATNIKMC4RCA2
SCHEMBL20443001 0.77 ALDH1A1 (0.54) KDM4ENPC1TP53RAB9A
SCHEMBL21414371 0.77 HRH3 (0.52) CHKALMNAMC4RKDM4ENPC1
SCHEMBL306744 0.76 LMNA (0.69) CHKALMNAMC4RKDM4ENPC1
SCHEMBL12190331 0.76 METAP2 (0.43) NPC1TP53RAB9A
SCHEMBL10460931 0.76 METAP2 (0.43) NPC1TP53RAB9A
SCHEMBL17465327 0.76 CHKA (0.87) CHKALMNAMC4RKDM4ECA2

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-2558085-B1 COMPOSITIONS AND METHODS FOR THE PREVENTION AND TREATMENT OF CANCER ATHENEX INC (US) 2017-08-30 — — EP disclosed
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