SCHEMBL30923915

SCHEMBL30923915

CN1CCN(c2ccc(NC(=O)c3ccc[nH]c3=O)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.65
RAB9A P51151 5/20 0.65
NPC1 O15118 4/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
TSHR P16473 1/20 0.65
ABL1 P00519 1/20 0.58
INSR P06213 1/20 0.58
NPM1 P06748 1/20 0.58
IGF1R P08069 1/20 0.58
BCR P11274 1/20 0.58
FLT3 P36888 1/20 0.58
ALK Q9UM73 1/20 0.58
TYK2 P29597 1/20 0.56
MT-CO2 P00403 1/20 0.56
JAK2 O60674 1/20 0.56
JAK1 P23458 1/20 0.56

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
SCHEMBL31005758 0.86 TYK2 (0.57) EGFRRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL30923880 0.80 EGFR (0.77) EGFRRAB9ANPC1JAK2JAK1
SCHEMBL10063188 0.78 ITK (0.81) EGFRRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL31005759 0.77 RAB9A (0.63) EGFRRAB9ANPC1SMN1; SMN2TSHR
SCHEMBL1663240 0.77 KMT2A (0.49) RAB9ANPC1SMN1; SMN2
SCHEMBL3368022 0.75 TYK2 (0.70) RAB9ANPC1TYK2
SCHEMBL1161155 0.74 TYK2 (0.69) RAB9ANPC1TYK2
SCHEMBL30923740 0.74 EGFR (0.75) EGFRJAK2JAK1
SCHEMBL21938137 0.73 TYK2 (0.68) RAB9ANPC1TYK2
Hydrochloric Acid SCHEMBL2591261 0.73 TYK2 (0.68) RAB9ANPC1TYK2

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-2024105364-A1 HETEROCYCLIC INHIBITORS OF CDC-LIKE KINASES CURADEV PHARMA LTD (GB) 2024-05-23 WO disclosed