SCHEMBL12699514

SCHEMBL12699514

Brc1cnc2ccc(NCCN3CCCC3)nn12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 6/20 0.48
▸ PIM1 P11309 1/20 0.44
▸ CHUK O15111 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ NMT1 P30419 1/20 0.43
▸ ACHE P22303 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.41
▸ FYN P06241 4/20 0.41
▸ MKNK1 Q9BUB5 3/20 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
SCHEMBL3452622 0.92 MAPK1 (0.45) IKBKBCHUKMAPK10FYNMKNK1
SCHEMBL12699506 0.90 NMT1 (0.47) IKBKBPIM1NMT1SIGMAR1FYN
SCHEMBL12699333 0.89 PIM1 (0.56) PIM1SIGMAR1FYN
SCHEMBL3452219 0.83 NMT1 (0.48) NMT1FYNMKNK1
SCHEMBL3452045 0.82 PIM1 (0.49) PIM1SIGMAR1FYNMKNK1
SCHEMBL3646812 0.80 MKNK1 (0.61) IKBKBPIM1CHUKMAPK10ACHE
SCHEMBL2946558 0.79 MKNK1 (0.61) FYNMKNK1
SCHEMBL15254301 0.79 IRAK4 (0.45) IKBKBFYNMKNK1
SCHEMBL3452185 0.79 FYN (0.61) PIM1FYNMKNK1
SCHEMBL3041634 0.78 FYN (0.67) IKBKBPIM1CHUKMAPK10FYN

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-2012127212-A1 IMIDAZO [1, 2 - B] PYRIDAZINE DERIVATIVES AS CDPK1 INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-09-27 — — WO disclosed
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