SCHEMBL29632554

SCHEMBL29632554

Nc1cccc(NCC2CCOCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 1/20 0.48
CCNT1 O60563 12/20 0.45
PIM1 P11309 3/20 0.45
PIM2 Q9P1W9 3/20 0.45
CDK9 P50750 3/20 0.44
MCHR1 Q99705 1/20 0.40
CSF1R P07333 1/20 0.40
KDR P35968 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL13685245 0.89 IDH1 (0.43) CCNT1PIM1PIM2CDK9MCHR1
SCHEMBL1192283 0.82 KCNH3 (0.48) KCNH3CCNT1PIM1PIM2CDK9
SCHEMBL12501654 0.80 CCNT1 (0.49) CCNT1PIM1PIM2CDK9CSF1R
SCHEMBL1225532 0.79 CCNT1 (0.52) CCNT1PIM1PIM2CDK9HIF1A
SCHEMBL30795325 0.78 KCNH3 (0.45) KCNH3CCNT1PIM1PIM2CDK9
SCHEMBL29632741 0.76 MAPK1 (0.46) CCNT1PIM1PIM2
SCHEMBL1463033 0.76 CCNT1 (0.68) CCNT1CDK9
SCHEMBL17700171 0.75 HIF1A (0.51) KCNH3CCNT1CDK9CSF1RHIF1A
SCHEMBL30794445 0.75 HIF1A (0.51) KCNH3CCNT1CDK9CSF1RHIF1A
SCHEMBL31019230 0.75 USP30 (0.56) KCNH3CCNT1PIM1PIM2CSF1R

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-2022086284-A1 PROTEIN KINASE INHIBITOR AND USE THEREOF (주)메디톡스 2022-04-28 WO disclosed