SCHEMBL24745810

SCHEMBL24745810

Cc1ccc(N2[C@H](C)COC[C@H]2C)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCND2 P30279 1/20 0.38
CCND3 P30281 1/20 0.38
ELANE P08246 1/20 0.37
AOC3 Q16853 2/20 0.35
NSD2 O96028 1/20 0.35
G6PD P11413 1/20 0.35
CCR6 P51684 1/20 0.35
MTOR P42345 6/20 0.34
PIK3CA P42336 4/20 0.34
CHRNB1 P11230 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNB3 Q05901 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL30316567 0.81 MTOR (0.44) CHRNB2CHRNA4MTORPIK3CA
SCHEMBL17108491 0.81 MTOR (0.44) CHRNB2CHRNA4MTORPIK3CA
SCHEMBL30315969 0.81 MTOR (0.44) CHRNB2CHRNA4MTORPIK3CA
SCHEMBL17108489 0.81 MTOR (0.44) CHRNB2CHRNA4MTORPIK3CA
SCHEMBL24562764 0.81 CHRNB2 (0.41) CHRNB2CHRNA4ELANECHRNB1CHRNB4
SCHEMBL23103865 0.78 PIK3C3 (0.46) CHRNB2CHRNA4MTORPIK3CA
SCHEMBL21256946 0.76 NSD2 (0.39) ELANENSD2G6PDCCR6MTOR
SCHEMBL25932737 0.76 NSD2 (0.39) ELANENSD2G6PDCCR6MTOR
SCHEMBL10144219 0.76 NSD2 (0.39) ELANENSD2G6PDCCR6MTOR
SCHEMBL17055164 0.75 MAPT (0.59) CHRNB2CHRNA4CDK4CCND1CCND2

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
WO-2022174253-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-08-18 WO disclosed