SCHEMBL13152683

SCHEMBL13152683

CCn1cc(N)c2ccc(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.41
▸ CHEK1 O14757 1/20 0.40
▸ PDGFRA P16234 1/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ TYRO3 Q06418 1/20 0.39
▸ CYP19A1 P11511 7/20 0.38
▸ CYP2C19 P33261 1/20 0.37
▸ CNR1 P21554 3/20 0.36
▸ CNR2 P34972 2/20 0.33
▸ ABCC2 Q92887 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ PIK3CD O00329 1/20 0.32

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
SCHEMBL13152593 0.86 LMNA (0.50) LMNACYP19A1CYP2C19ABCC2HTR2A
SCHEMBL13153383 0.79 KCNA3 (0.38) CNR1HTR6
SCHEMBL24143782 0.78 HTR2A (0.43) LMNACHEK1CYP19A1CYP2C19HTR2A
SCHEMBL13153386 0.77 KIF11 (0.44) LMNACNR1CNR2HTR1AHTR7
SCHEMBL13806215 0.77 CHEK1 (0.43) CHEK1PDGFRACDK5TYRO3RAB9A
SCHEMBL10095347 0.76 SMN1; SMN2 (0.47) LMNA
SCHEMBL13806314 0.74 NR4A2 (0.50) LMNACYP19A1NPC1RAB9A
SCHEMBL13152564 0.73 DYRK1A (0.43) LMNACYP19A1CNR1CNR2ABCC2
SCHEMBL13152546 0.73 CYP1A2 (0.41) CYP2C19HTR1ANPC1RAB9A
SCHEMBL25742135 0.72 LMNA (0.47) LMNAPDGFRACDK5TYRO3CNR1

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-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 — — WO disclosed
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