SCHEMBL3974777

SCHEMBL3974777

CC(C)Oc1cccc(-c2ccc(-c3nc(Nc4ccc(OCCN5CCCC5)cc4)nc4[nH]ccc34)s2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.43
JAK3 P52333 2/20 0.43
PTK2 Q05397 2/20 0.43
PDPK1 O15530 1/20 0.42
SRC P12931 12/20 0.42
KDR P35968 4/20 0.42
YES1 P07947 3/20 0.42
EPHB4 P54760 3/20 0.42
PDGFRB P09619 3/20 0.42
ABL1 P00519 2/20 0.42
LCK P06239 2/20 0.42
LYN P07948 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
EGFR P00533 1/20 0.42
RAF1 P04049 1/20 0.42
FYN P06241 1/20 0.42
FGFR1 P11362 1/20 0.42
RPS6KB1 P23443 1/20 0.42

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
SCHEMBL13883511 0.89 SRC (0.52) JAK2JAK3PTK2PDPK1SRC
SCHEMBL13881584 0.85 AXL (0.56) JAK2JAK3PTK2SRCKDR
SCHEMBL13883580 0.84 AXL (0.46) JAK2JAK3SRCKDRYES1
SCHEMBL3964683 0.82 AXL (0.48) JAK2JAK3PTK2SRCKDR
SCHEMBL13883618 0.81 JAK2 (0.43) JAK2JAK3PTK2AXLRET
SCHEMBL13883570 0.80 BACE1 (0.41) JAK2JAK3PTK2AXLRET
SCHEMBL3966481 0.80 BACE1 (0.48) JAK2JAK3PTK2SRCKDR
SCHEMBL3969268 0.79 HRH3 (0.46) JAK2JAK3PTK2PDPK1SRC
SCHEMBL13883471 0.79 SRC (0.52) JAK2JAK3SRCKDRYES1
SCHEMBL13883571 0.79 SRC (0.46) JAK2JAK3SRCKDRYES1

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
WO-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO disclosed
WO-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO disclosed