SCHEMBL20524310

SCHEMBL20524310

CCC(O)c1ccncc1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
PDE2A O00408 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RPS6KA3 P51812 1/20 0.31
AXL P30530 1/20 0.31
PKM P14618 1/20 0.30
KMT2A Q03164 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL16756490 0.84 L3MBTL1 (0.34) LMNACCNCCDK8SMN1; SMN2L3MBTL1
SCHEMBL782704 0.79 RPS6KA3 (0.37) LMNACCNCCDK8SMN1; SMN2RPS6KA3
SCHEMBL23639284 0.78 CYP2D6 (0.42) LMNAPDE2ARPS6KA3CYP3A4GAA
SCHEMBL13385945 0.78 PDE2A (0.47) LMNAPDE2ASMN1; SMN2L3MBTL1RPS6KA3
SCHEMBL8263256 0.74 LMNA (0.35) LMNAPDE2ACYP3A4BLMGAA
SCHEMBL9846960 0.74 GAA (0.39) LMNAPDE2AL3MBTL1KMT2AMAPT
SCHEMBL31250363 0.74 RPS6KA3 (0.42) LMNACCNCCDK8CA12CA1
SCHEMBL3810939 0.74 RPS6KA3 (0.42) LMNACCNCCDK8CA12CA1
SCHEMBL27491538 0.74 HTT (0.37) LMNACCNCCDK8KMT2ACYP3A4
SCHEMBL1770142 0.73 CA12 (0.38) CA12CA1CA2CA9CA14

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-3601284-A1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 H. Hoffnabb-La Roche Ag (CH) 2020-02-05 EP disclosed
WO-2018183956-A1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2018-10-04 WO disclosed