SCHEMBL30130179

SCHEMBL30130179

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
MAPK1 P28482 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ACACB O00763 1/20 0.38
CHRM1 P11229 1/20 0.37
PDE4A P27815 1/20 0.37
STK17A Q9UEE5 1/20 0.36
CDK1 P06493 3/20 0.36
KDR P35968 3/20 0.36
CDK2 P24941 2/20 0.36
CCNT1 O60563 1/20 0.36
CA2 P00918 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CDK7 P50613 1/20 0.36
CDK9 P50750 1/20 0.36

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
SCHEMBL30130213 0.84 SYK (0.40) RAB9AMAPK1
SCHEMBL30130219 0.84 SYK (0.40) RAB9AMAPK1
SCHEMBL24867214 0.80 RAB9A (0.43) RAB9AMAPK1ACACBCDK4CCND1
SCHEMBL24867268 0.80 CHEK1 (0.49) RAB9AMAPK1CDK1KDRCDK4
SCHEMBL24867148 0.80 RAB9A (0.40) RAB9ANPC1MAPK1ACACBCDK2
SCHEMBL3437767 0.79 NPC1 (0.45) RAB9ANPC1ACACBCHRM1PDE4A
SCHEMBL24867269 0.79 HDAC3 (0.43) RAB9ANPC1HDAC3HDAC1HDAC2
SCHEMBL31159450 0.79 RORC (0.48) RAB9ANPC1MAPK1HDAC3HDAC1
SCHEMBL24867240 0.79 BRAF (0.42) RAB9AMAPK1MEN1KMT2A
SCHEMBL1734421 0.78 CDK1 (0.43) RAB9ANPC1MAPK1HDAC3HDAC1

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 3 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-A9 CDK19-SELECTIVE INHIBITORS, AND METHODS OF USE THEREOF CZ BIOHUB SF, LLC (US) 2023-05-25 WO disclosed
WO-2023283488-A2 CDK19-SELECTIVE INHIBITORS, AND METHODS OF USE THEREOF CHAN ZUCKERBERG BIOHUB, INC. (US) 2023-01-12 WO disclosed