SCHEMBL16622992

SCHEMBL16622992

O=C(CCCO)Nc1ccc(Br)cn1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.76
TSHR P16473 3/20 0.70
NPC1 O15118 5/20 0.65
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
ALDH1A1 P00352 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
LMNA P02545 1/20 0.53
GLA P06280 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.50
DEGS1 O15121 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL30008144 0.86 RAB9A (1.00) RAB9ATSHRNPC1MEN1KMT2A
SCHEMBL31241071 0.85 RAB9A (0.97) RAB9ATSHRNPC1MEN1KMT2A
SCHEMBL3396223 0.83 TSHR (1.00) RAB9ATSHRNPC1MEN1KMT2A
SCHEMBL29733653 0.83 TSHR (1.00) RAB9ATSHRNPC1MEN1KMT2A
SCHEMBL4775518 0.83 RAB9A (0.83) RAB9ATSHRNPC1MEN1KMT2A
SCHEMBL21533494 0.80 LMNA (0.73) RAB9ATSHRNPC1MEN1KMT2A
SCHEMBL15004187 0.80 TSHR (0.69) RAB9ATSHRNPC1MEN1KMT2A
SCHEMBL14784228 0.79 TSHR (0.71) RAB9ATSHRNPC1MEN1KMT2A
Iodomethane SCHEMBL27798273 0.79 TSHR (0.91) RAB9ATSHRNPC1MEN1KMT2A
SCHEMBL7936077 0.79 TSHR (0.67) RAB9ATSHRNPC1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2857404-B1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AS KINASE INHIBITORS DAIICHI SANKYO CO LTD (JP) 2017-08-23 EP disclosed
EP-2857404-A1 IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVE AS KINASE INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2015-04-08 EP disclosed