SCHEMBL27362520

SCHEMBL27362520

COc1ccn2c(-c3cncc(NC4CNCCC4F)n3)cnc2c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 12/20 0.57
CSF1R P07333 8/20 0.46
KDR P35968 8/20 0.46
KIT P10721 3/20 0.46
CYP2D6 P10635 1/20 0.46
KCNH2 Q12809 1/20 0.46
NRAS P01111 6/20 0.45
IRAK4 Q9NWZ3 3/20 0.43
CLK2 P49760 1/20 0.43
CLK3 P49761 1/20 0.43
DYRK1A Q13627 1/20 0.43
PDGFRB P09619 2/20 0.41
CDK7 P50613 2/20 0.41
IRAK1 P51617 2/20 0.41
CCNH P51946 2/20 0.41
LCK P06239 1/20 0.41
RET P07949 1/20 0.41

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
SCHEMBL24977141 1.00 FLT3 (0.57) FLT3CSF1RKDRKITCYP2D6
SCHEMBL24975663 0.92 FLT3 (0.62) FLT3CSF1RKDRKITCYP2D6
SCHEMBL24232004 0.91 FLT3 (0.47) FLT3CSF1RKDRKITCYP2D6
SCHEMBL24976584 0.91 FLT3 (0.47) FLT3CSF1RKDRKITCYP2D6
SCHEMBL24975940 0.90 FLT3 (0.46) FLT3CSF1RKDRKITCYP2D6
SCHEMBL25988795 0.90 FLT3 (0.72) FLT3CSF1RKDRKITCYP2D6
SCHEMBL25992436 0.90 FLT3 (0.72) FLT3CSF1RKDRKITCYP2D6
SCHEMBL24975939 0.89 FLT3 (0.45) FLT3CSF1RKDRKITCYP2D6
SCHEMBL376585 0.88 FLT3 (0.68) FLT3KDRNRASIRAK4PDGFRB
SCHEMBL24975706 0.86 FLT3 (0.54) FLT3CSF1RKDRKITCYP2D6

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-2024030908-A1 MULTI-CYCLIC IRAK1 AND IRAK4 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2024-02-08 WO disclosed