SCHEMBL30130169

SCHEMBL30130169

CC(C)Cc1ccc(Nc2ncc(Nc3cccnc3)cn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
AKT1 P31749 1/20 0.46
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MARK3 P27448 5/20 0.40
MARK4 Q96L34 1/20 0.40
CYP17A1 P05093 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TBXAS1 P24557 2/20 0.39
MAPK1 P28482 1/20 0.39
EGFR P00533 1/20 0.39
ACACB O00763 1/20 0.38
CCNK O75909 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCND3 P30281 1/20 0.38
CDK9 P50750 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
SCHEMBL24866885 1.00 RAB9A (0.52) RAB9AAKT1CYP1A2CYP3A4CYP2D6
SCHEMBL24867214 0.87 RAB9A (0.43) RAB9AAKT1CYP2C9MAPK1ACACB
SCHEMBL24867148 0.87 RAB9A (0.40) RAB9ACYP2C9MAPK1ACACBCCNA2
SCHEMBL24867228 0.87 AKT1 (0.46) RAB9AAKT1CYP1A2CYP3A4CYP2D6
SCHEMBL24867276 0.84 RAB9A (0.46) RAB9ACYP1A2CYP3A4ALDH1A1MAPK1
SCHEMBL24866862 0.79 HDAC3 (0.48) RAB9ACYP2C9ALDH1A1MAPK1CDK2
SCHEMBL24866909 0.79 AKT1 (0.42) RAB9AAKT1
SCHEMBL24867244 0.78 RAB9A (0.44) RAB9AALDH1A1MAPK1CCNA2CDK2
SCHEMBL24867304 0.78 RAB9A (0.40) RAB9AALDH1A1MAPK1CDK2
SCHEMBL24867240 0.78 BRAF (0.42) RAB9AMAPK1

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-4366724-A2 CDK19-SELECTIVE INHIBITORS, AND METHODS OF USE THEREOF CZ Biohub SF, LLC (US) 2024-05-15 EP disclosed
WO-2023283488-A2 CDK19-SELECTIVE INHIBITORS, AND METHODS OF USE THEREOF CHAN ZUCKERBERG BIOHUB, INC. (US) 2023-01-12 WO disclosed