SCHEMBL31060973

SCHEMBL31060973

NC(=O)C1CCCN(c2cc(-c3cccc(NCC4CCOCC4)c3)c(Cl)cn2)C1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 6/20 0.50
▸ CCNT1 O60563 7/20 0.44
▸ LRRK2 Q5S007 2/20 0.43
▸ SMO Q99835 3/20 0.40
▸ PRKDC P78527 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.38
▸ CAMK1D Q8IU85 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CCNK O75909 1/20 0.38

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
SCHEMBL9929727 0.81 CDK9 (0.49) CDK9CCNT1CCNK
SCHEMBL27873413 0.80 CDK9 (0.56) CDK9LRRK2SMO
SCHEMBL27873288 0.80 CDK9 (0.56) CDK9LRRK2SMO
SCHEMBL10242056 0.78 CDK9 (0.55) CDK9CCNT1
SCHEMBL10244032 0.77 CDK9 (0.50) CDK9CCNT1
SCHEMBL10242064 0.77 MAPK8 (0.51) CDK9CCNT1
SCHEMBL10242964 0.77 CDK9 (0.50) CDK9CCNT1
SCHEMBL10242740 0.77 CDK9 (0.50) CDK9CCNT1
SCHEMBL10242891 0.77 CDK9 (0.50) CDK9CCNT1
SCHEMBL10242895 0.76 CDK9 (0.54) CDK9CCNT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 — — EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 — — WO disclosed
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