SCHEMBL31723379

SCHEMBL31723379

COC(C)(C)Cn1cnc2ccc(Br)cc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.56
LMNA P02545 2/20 0.53
DDR1 Q08345 4/20 0.48
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.40
TNF P01375 1/20 0.40
RAB9A P51151 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
P2RX3 P56373 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHEK1 O14757 1/20 0.38
PIM1 P11309 1/20 0.38
AKT1 P31749 1/20 0.38
FLT3 P36888 1/20 0.38
PIM3 Q86V86 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
SCHEMBL12933340 0.87 MCL1 (0.57) MCL1LMNADDR1MAPK1POLB
SCHEMBL30987319 0.84 MCL1 (0.58) MCL1LMNADDR1MAPK1POLB
SCHEMBL13820349 0.82 MCL1 (0.56) MCL1LMNADDR1MAPK1POLB
SCHEMBL30987352 0.81 PDE5A (0.43) MCL1LMNADDR1TNFHDAC6
SCHEMBL22447490 0.81 MCL1 (0.60) MCL1LMNADDR1POLBTNF
SCHEMBL22447583 0.80 MCL1 (0.57) MCL1LMNADDR1MAPK1TNF
SCHEMBL22447486 0.80 MCL1 (0.56) MCL1LMNADDR1TNFRAB9A
SCHEMBL4210572 0.79 MCL1 (0.61) MCL1LMNADDR1MAPK1POLB
SCHEMBL12963735 0.77 LMNA (0.61) MCL1LMNADDR1MAPK1POLB
SCHEMBL24542673 0.77 MCL1 (0.71) MCL1LMNADDR1TNFRAB9A

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
EP-4647433-A1 SHP2 INHIBITOR AND USES THEREOF Kanaph Therapeutics Inc. (KR) 2025-11-12 EP disclosed